Geometry & MOs

Info

ID:	67480
PubChem CID:	46506553
Reduced:	N4O5H28C29 (1)
Stoich.:	A4B5C28D29 (1)
Weight, g/mol:	445.042996
ΔH_f, kcal/mol:	-124.98
Dipole, Da:	1.94
IP(EA), eV:	-8.22(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)C3=C(C4=C(N3C)C=CC(=C4)C)N(C2=O)CC(=O)NC5=C(C=C(C=C5)OC)OC

DOS

IR

Vibrations